3-Hydroxy-2-pyridinecarboxylic acid - ≥98% , CAS No.874-24-8

CAS: 874-24-8 Cat. No.: H137085 Molecular Weight: 139.11 Beilstein Registry Number: 22(3/4)2134 EC Number: 212-859-0

GRADE & PURITY ≥98%

Synonyms

3-Hydroxypicolinate | CHEBI:64342 | 1007854-00-3 | 3-Hydroxy-2-pyridinecarboxylate | 3-Hydroxypyridine-2-carboxylic acid, 98% | UNII-XV7XP64JR5 | 2-Carboxy-3-hydroxypyridine | 3-Hydroxypyridinium-2-carboxylate | 2-Pyridinecarboxylic acid, 3-hydroxy- | Q10

Storage

Room temperature

Shipped In

Normal

Overview

Product Application:

3-Hydroxypyridine-2-carboxylic acid is used as a matrix for nucleotides in MALDI mass spectrometry analyses.

Specifications

Synonyms

3-Hydroxypicolinate | CHEBI:64342 | 1007854-00-3 | 3-Hydroxy-2-pyridinecarboxylate | 3-Hydroxypyridine-2-carboxylic acid, 98% | UNII-XV7XP64JR5 | 2-Carboxy-3-hydroxypyridine | 3-Hydroxypyridinium-2-carboxylate | 2-Pyridinecarboxylic acid, 3-hydroxy- | Q10

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181847
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181847
• Canonical Smiles: C1=CC(=C(N=C1)C(=O)O)O
• IUPAC Name: 3-hydroxypyridine-2-carboxylic acid
• InChIKey: BRARRAHGNDUELT-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO3/c8-4-2-1-3-7-5(4)6(9)10/h1-3,8H,(H,9,10)
• Isomeric SMILES: C1=CC(=C(N=C1)C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 139.11
• Beilstein: 22(3/4)2134
• Reaxy-Rn: 118954
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Hydroxypyridines Vinylogous acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Hydroxypyridine - Vinylogous acid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
• External Descriptors: monocarboxylic acid - monohydroxypyridine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (0.25g in 10ml).
• Melt Point(°C): 213-218 ℃
• Molecular Weight: 139.110 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 139.027 Da
• Monoisotopic Mass: 139.027 Da
• Topological Polar Surface Area: 70.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 137.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Jingwei Wu, Man Qi, Gökalp Gözaydın, Ning Yan, Yongjun Gao, Xi Chen.  (2021)  Selectivity-Switchable Conversion of Chitin-Derived N-Acetyl-d-glucosamine into Commodity Organic Acids at Room Temperature.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c05805]

2. Hua Xia, Zhou Xin, Du GenLai, Xu Yong.  (2020)  Resolving the formidable barrier of oxygen transferring rate (OTR) in ultrahigh-titer bioconversion/biocatalysis by a sealed-oxygen supply biotechnology (SOS).  Biotechnology for Biofuels,  13  (1): (1-12).  [PMID:31911817] [10.1186/s13068-019-1642-1]

3. Jie Chai, Yanfei Liu, Jinglong Dong, Bin Liu, Binsheng Yang.  (2017)  Synthesis, structure, chemical and bioactivity behavior of eight chromium(III) picolinate derivatives Cr(R-pic)3.  INORGANICA CHIMICA ACTA,      [PMID:] [10.1016/j.ica.2017.05.041]